(E)-3-(4-propan-2-ylphenyl)-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-propan-2-ylphenyl)-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-isopropylphenyl)-N-[(1-propyltetrazol-5-yl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-propan-2-ylphenyl)-N-[[(1-propyl-5-tetrazolyl)amino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-propan-2-ylphenyl)-N-[(1-propyltetrazol-5-yl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-p-cumenyl-N-[(1-propyltetrazol-5-yl)thiocarbamoyl]acrylamide Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCN1C(=NN=N1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C17H22N6OS/c1-4-11-23-16(20-21-22-23)19-17(25)18-15(24)10-7-13-5-8-14(9-6-13)12(2)3/h5-10,12H,4,11H2,1-3H3,(H2,18,19,20,22,24,25)/b10-7+